3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol

C9H13BrO — CID 134612491

IUPAC3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC1CC2CC1C(Br)C2O
InChIInChI=1S/C9H13BrO/c1-2-5-3-6-4-7(5)8(10)9(6)11/h2,5-9,11H,1,3-4H2
InChIKeyMWDDSSVDNXRNGR-UHFFFAOYSA-N
MW217.11 g/mol
LogP1.95
Rot. Bonds1

About 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol

3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol (PubChem CID 134612491) has the molecular formula C9H13BrO and a molecular weight of 217.11 g/mol. Its IUPAC name is 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol
PubChem CID134612491
Molecular FormulaC9H13BrO
Molecular Weight217.11 g/mol
Exact Mass216.01
IUPAC Name3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC1CC2CC1C(Br)C2O
InChIInChI=1S/C9H13BrO/c1-2-5-3-6-4-7(5)8(10)9(6)11/h2,5-9,11H,1,3-4H2
InChIKeyMWDDSSVDNXRNGR-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4S,5R,6S)-6-ethenyltricyclo[3.2.1.02,4]octane
CID 143370752
2,4-bis(ethenyl)bicyclo[3.1.0]hexane
CID 157434965
2-ethenylcyclopropan-1-ol
CID 54500145
(1S,4R,6S,9S,10R)-10-ethenyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane;(1S,4R,6S,9S,10S)-10-ethenyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane;(1S,4S,6R,9S,10R)-10-ethenyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane;(1S,4S,6R,9S,10S)-10-ethenyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane
CID 159189434
dimethyl 5-ethenylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 67802456
6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol
CID 134158819
9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
CID 59097462
3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 130151853
1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
CID 89185365
(1R,3R,6R)-tricyclo[2.2.1.02,6]heptan-3-ol
CID 6979104
1,3-bis(ethenyl)-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162270602
4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol
CID 165347648

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol (CID 134612491) is 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol is C=CC1CC2CC1C(Br)C2O.
What is the InChIKey of 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is MWDDSSVDNXRNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO/c1-2-5-3-6-4-7(5)8(10)9(6)11/h2,5-9,11H,1,3-4H2.
What are the key properties of 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol?
3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 217.11 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134612491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).